1-[3-(5-bromanylindol-1-yl)propanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(5-bromanylindol-1-yl)propanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(5-bromoindol-1-yl)propanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(5-bromo-1-indolyl)-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(5-bromoindol-1-yl)propanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(5-bromoindol-1-yl)propanoyl]nipecotic acid Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C=CC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCN2C=CC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C17H19BrN2O3/c18-14-3-4-15-12(10-14)5-8-19(15)9-6-16(21)20-7-1-2-13(11-20)17(22)23/h3-5,8,10,13H,1-2,6-7,9,11H2,(H,22,23)